Current understanding of the growth of carbon nanotubes in catalytic chemical vapour deposition

V Jourdain, C Bichara - Carbon, 2013 - Elsevier
Due to its higher degree of control and its scalability, catalytic chemical vapour deposition is
now the prevailing synthesis method of carbon nanotubes. Catalytic chemical vapour …

Effective Work Functions of the Elements: Database, Most probable value, Previously recommended value, Polycrystalline thermionic contrast, Change at critical …

H Kawano - Progress in surface science, 2022 - Elsevier
As a much-enriched supplement to the previous review paper entitled the “Effective work
functions for ionic and electronic emissions from mono-and polycrystalline surfaces”[Prog …

Surface diffusion: the low activation energy path for nanotube growth

S Hofmann, G Csanyi, AC Ferrari, MC Payne… - Physical review …, 2005 - APS
We present the temperature dependence of the growth rate of carbon nanofibers by plasma-
enhanced chemical vapor deposition with Ni, Co, and Fe catalysts. We extrapolate a …

Density functional theory study of the CO insertion mechanism for Fischer− Tropsch synthesis over Co catalysts

M Zhuo, KF Tan, A Borgna, M Saeys - The Journal of Physical …, 2009 - ACS Publications
Different mechanisms have been proposed for Fischer− Tropsch synthesis, the conversion
of CO and H2 to long-chain alkanes. Density functional theory calculations indicate that CO …

Theoretical studies of stability and reactivity of CHx species on Ni (111)

RM Watwe, HS Bengaard, JR Rostrup-Nielsen… - Journal of …, 2000 - Elsevier
Periodic infinite plane wave slab calculations were performed, in conjunction with density
functional theory and ultrasoft pseudopotentials to study the adsorption of CHx (x= 1, 2, 3) …

Microkinetic modelling of the formation of C1 and C2 products in the Fischer–Tropsch synthesis over cobalt catalysts

S Storsæter, D Chen, A Holmen - Surface science, 2006 - Elsevier
The heats of adsorption of different C1 and C2 molecules assumed to be present during the
initial steps of the Fischer–Tropsch synthesis and activation energies for elementary steps …

Carbon nanotube synthesis: from large-scale production to atom-by-atom growth

C Journet, M Picher, V Jourdain - Nanotechnology, 2012 - iopscience.iop.org
The extraordinary electronic, thermal and mechanical properties of carbon nanotubes
(CNTs) closely relate to their structure. They can be seen as rolled-up graphene sheets with …

Carbon deposition on Co catalysts during Fischer–Tropsch synthesis: A computational and experimental study

KF Tan, J Xu, J Chang, A Borgna, M Saeys - Journal of Catalysis, 2010 - Elsevier
The deactivation of a 20wt% Co/γ-Al2O3 catalyst during Fischer–Tropsch Synthesis (FTS) at
240° C, 20bar, and a H2: CO ratio of 2 was studied in a fixed-bed micro-reactor. The CO …

Atomistic modelling of CVD synthesis of carbon nanotubes and graphene

JA Elliott, Y Shibuta, H Amara, C Bichara, EC Neyts - Nanoscale, 2013 - pubs.rsc.org
We discuss the synthesis of carbon nanotubes (CNTs) and graphene by catalytic chemical
vapour deposition (CCVD) and plasma-enhanced CVD (PECVD), summarising the state-of …

Improving the coking resistance of Ni-based catalysts by promotion with subsurface boron

J Xu, M Saeys - Journal of Catalysis, 2006 - Elsevier
Carbon deposition on Ni catalysts was analyzed using first-principles density functional
theory calculations. Based on the analysis, we propose boron as a promoter to improve the …